Ductile deformation mechanism in semiconductor α-Ag2S
Ductile deformation mechanism in semiconductor α-Ag2S
复制标题
半导体 α-Ag2S 的延性变形机制
DOI：
10.1038/s41524-018-0100-0
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发表时间：
2018-08-13
影响因子：
9.7
通讯作者：
Snyder, G. Jeffrey
中科院分区：
文献类型：
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作者：
Li, Guodong;An, Qi;Snyder, G. Jeffrey
无机半导体α-Ag 2S在室温下表现出类似金属的延展性，但这种高延展性的起源尚未完全探索。基于密度泛函理论对α-Ag 2S的内在力学性能的模拟，其潜在的延展机制归因于以下三个因素：（i）低的理想剪切强度和在压力下的多个滑移路径，（ii）Ag-S八边形框架容易移动而不破坏Ag-S键，和（iii）形成金属Ag-Ag键，其抑制Ag-S骨架滑动并将它们保持在一起。α-Ag 2S中的易滑移路径（或原子容易重排而不破坏键）提供了对韧性半导体材料塑性变形机制的理解，这有利于设计和开发柔性半导体材料和电子器件。
Inorganic semiconductor alpha-Ag2S exhibits a metal-like ductile behavior at room temperature, but the origin of this high ductility has not been fully explored yet. Based on density function theory simulations on the intrinsic mechanical properties of alpha-Ag2S, its underlying ductile mechanism is attributed to the following three factors: (i) the low ideal shear strength and multiple slip pathways under pressure, (ii) easy movement of Ag-S octagon framework without breaking Ag-S bonds, and (iii) a metallic Ag-Ag bond forms which suppresses the Ag-S frameworks from slipping and holds them together. The easy slip pathways (or easy rearrangement of atoms without breaking bonds) in alpha-Ag2S provide insight into the understanding of the plastic deformation mechanism of ductile semiconductor materials, which is beneficial for devising and developing flexible semiconductor materials and electronic devices.